Author Topic: How can we get a bond angle distribution in ovito?  (Read 23 times)

sbista

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How can we get a bond angle distribution in ovito?
« on: February 16, 2018, 05:32:37 AM »
Hi,
I would like to know if we could write a python script to get a bond angle distribution for a selected particle types in ovito. I am interested in creating a histogram of bond angle distribution between certain particle types in my simulations.
Thanks

Alexander Stukowski

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Re: How can we get a bond angle distribution in ovito?
« Reply #1 on: February 16, 2018, 04:17:41 PM »
Hi there,

Here is a script I wrote some time ago for Ovito 2.9.0 to calculate the bond-angle distribution for a system (for demonstration purposes). It may serve you as a starting point to develop a solution for your specific problem. Disclaimer: I never used the script for real-word analyses and I never verified that it is working correctly. So use with caution.

-Alex